Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.50 |
| ▸ | GSK3A | P49840 | 3/20 | 0.50 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.50 |
| ▸ | PRKACA | P17612 | 2/20 | 0.50 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.50 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.50 |
| ▸ | NEK4 | P51957 | 2/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.50 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.50 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.50 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.50 |
| ▸ | HIPK4 | Q8NE63 | 2/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.50 |
| ▸ | CSNK1G3 | Q9Y6M4 | 2/20 | 0.50 |
| ▸ | CSNK1G2 | P78368 | 2/20 | 0.50 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.50 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.50 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8768958 | 0.86 | KDR (0.52) | GSK3BGSK3AROCK1PRKG1CLK4 | |
| SCHEMBL30672966 | 0.84 | CHEK2 (0.52) | GSK3BGSK3ACHEK2PRKACARPS6KB1 | |
| SCHEMBL8767677 | 0.83 | KCNH2 (0.54) | MEN1KMT2AFESFGFR1FLT4 | |
| SCHEMBL4366261 | 0.81 | ROCK1 (0.75) | GSK3BGSK3ACHEK2PRKACARPS6KB1 | |
| SCHEMBL8371911 | 0.78 | ABCB1 (0.50) | HDAC1CXCR2 | |
| SCHEMBL30673020 | 0.78 | CNR1 (0.46) | GSK3BGSK3ACHEK2PRKACARPS6KB1 | |
| SCHEMBL27249149 | 0.76 | AURKB (0.58) | GSK3BGSK3ACHEK2PRKACARPS6KB1 | |
| SCHEMBL8995728 | 0.74 | MAPKAPK2 (0.51) | GSK3BGSK3ACHEK2NEK4ROCK1 | |
| SCHEMBL8995725 | 0.74 | MAPKAPK2 (0.51) | GSK3BGSK3ACHEK2NEK4ROCK1 | |
| SCHEMBL8768922 | 0.73 | CXCR2 (0.50) | HDAC1MEN1KMT2ACTDSP1FES |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0789690-A1 | N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-08-20 | — | — | EP | claimed |
| WO-1996014300-A1 | N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-05-17 | — | — | WO | claimed |